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Home > Nitro Compounds > 82959-74-8
82959-74-8 | 3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)-
CAS No: 82959-74-8 Catalog No: AG004YJ0 MDL No:
Product Description
Catalog Number:
AG004YJ0
Chemical Name:
3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)-
CAS Number:
82959-74-8
Molecular Formula:
C28H40N2O13
Molecular Weight:
612.6228
IUPAC Name:
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
InChI:
InChI=1S/C28H40N2O13/c31-29(32)25-1-5-27(6-2-25)42-23-21-40-19-17-38-15-13-36-11-9-35-10-12-37-14-16-39-18-20-41-22-24-43-28-7-3-26(4-8-28)30(33)34/h1-8H,9-24H2
InChI Key:
YXKMRZDYSVMPAT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.253g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
612.629g/mol
Monoisotopic Mass:
612.253g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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